MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006196
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006196
RECORD_TITLE: TRIETHYLENE GLYCOL MONOMETHYL ETHER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: TRIETHYLENE GLYCOL MONOMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O4
CH$EXACT_MASS: 164.10486
CH$SMILES: COCCOCCOCCO
CH$IUPAC: InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY
JLGLQAWTXXGVEM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026912
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-014i-1900000000-d8d9a7d9b09505c76950
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
87 2.96 30
88 2.59 26
89 10.12 101
102 1.46 15
103 17.98 180
104 1.01 10
133 4.42 44
147 1.21 12
165 99.99 999
166 12.01 120
167 1.73 17
//